Rolapitant hydrochloride hydrate
Based on 1 Customer Validation
Rolapitant hydrochloride hydrate (SCH619734 hydrochloride hydrate) is a potent, selective, long-acting and orally active neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. Rolapitant hydrochloride hydrate does not interact with CYP3A4. Rolapitant hydrochloride hydrate shows potent anti-emetic activity in a ferret emesis model.
For research use only. We do not sell to patients.
- Purity: 98.36%
- CAS No.: 914462-92-3
- Formula: C25H29ClF6N2O3
- Molecular Weight:554.95
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Storage:
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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Biological Activity
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human NK1 0.66 nM (Ki) |
gerbil NK1 0.13 nM (Ki) |
guinea pig NK1 0.72 nM (Ki) |
monkey NK1 2.5 nM (Ki) |
rabbit NK1 31.7 nM (Ki) |
rat NK1 78.6 nM (Ki) |
mouse NK1 60.4 nM (Ki) |
Rolapitant hydrochloride hydrate has high selectivity over the human NK2 and NK3 subtypes of more than 1000-fold, as well as preferential affinity for human, guinea pig, gerbil and monkey NK1 receptors over rat, mouse and rabbit[1].
Rolapitant hydrochloride hydrate (1-1000 nM) inhibits the GR-73632 (an NK1 receptor agonist)-induced calcium efflux in a concentration-dependent and competitive manner in CHO cells expressing the human NK1 receptor[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Rolapitant hydrochloride hydrate (0.03-1 mg/kg; PO; single dosage; observed for 72 h) blocks acute emesis induced by both apomorphine and cisplatin (HY-17394) in ferrets[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Female Mongolian Gerbils (30-60 g; anesthetized by inhalation of an oxygen:isofluorane mixture after 4 h PO or immediately after IV, then injected with 5 μl of 3 pmol solution of GR-73632 via ICV)[1]
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Dosage:0.03, 0.1, 0.3 and 1 mg/kg for PO, 0.3 and 1 mg/kg for IV
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Administration:PO or IV, single dosage
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Result:Attenuated dose-dependently the GR-73632-induced foot-tapping response when administered PO 4 h before testing, with an ID90 of 0.3 mg/kg, and the inhibition in foot tapping for at least 24 h.
Blocked dose-dependently the foot tapping induced by GR-73632 when administered IV, with complete blockade observed at 1 mg/kg.
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Animal Model:Ferrets (treated with subcutaneous administration of 0.125 mg/kg apomorphine or intraperitoneal administration of 10 mg/kg cisplatin)[1]
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Dosage:0.03, 0.1, 0.3 and 1 mg/kg
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Administration:PO; single dosage; observed for 72 h
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Result:Blocked dose-dependently acute emesis induced by both apomorphine and cisplatin in ferrets.
Produced a robust decrease in retches and vomits in ferrets that was maintained throughout the 72 h observation period.
| NCT Number | Sponsor | Condition | Start Date |
Phase
|
|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 914462-92-3
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Appearance Solid
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Molecular Weight 554.95
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Formula C25H29ClF6N2O3
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Color White to off-white
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SMILES
O=C1N[C@]2(CN[C@@](C3=CC=CC=C3)(CO[C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)CC2)CC1.[H]Cl.O
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Synonyms
SCH619734 hydrochloride hydrate
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
Solvent & Solubility
DMSO : 250 mg/mL (450.49 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Purity & Documentation
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Data Sheet (280 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
[1]. Duffy RA, et al. Rolapitant (SCH 619734): a potent, selective and orally active neurokininNK1 receptor antagonist with centrally-mediated antiemetic effects inferrets. Pharmacol Biochem Behav. 2012 Jul;102(1):95-100. [Content Brief]
[2]. Rapoport B, et al. Study of rolapitant, a novel, long-acting, NK-1 receptor antagonist, for the prevention of chemotherapy-induced nausea and vomiting (CINV) due to highly emetogenic chemotherapy (HEC). Support Care Cancer. 2015 Nov;23(11):3281-8. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.8020 mL | 9.0098 mL | 18.0196 mL | 45.0491 mL |
| 5 mM | 0.3604 mL | 1.8020 mL | 3.6039 mL | 9.0098 mL | |
| 10 mM | 0.1802 mL | 0.9010 mL | 1.8020 mL | 4.5049 mL | |
| 15 mM | 0.1201 mL | 0.6007 mL | 1.2013 mL | 3.0033 mL | |
| 20 mM | 0.0901 mL | 0.4505 mL | 0.9010 mL | 2.2525 mL | |
| 25 mM | 0.0721 mL | 0.3604 mL | 0.7208 mL | 1.8020 mL | |
| 30 mM | 0.0601 mL | 0.3003 mL | 0.6007 mL | 1.5016 mL | |
| 40 mM | 0.0450 mL | 0.2252 mL | 0.4505 mL | 1.1262 mL | |
| 50 mM | 0.0360 mL | 0.1802 mL | 0.3604 mL | 0.9010 mL | |
| 60 mM | 0.0300 mL | 0.1502 mL | 0.3003 mL | 0.7508 mL | |
| 80 mM | 0.0225 mL | 0.1126 mL | 0.2252 mL | 0.5631 mL | |
| 100 mM | 0.0180 mL | 0.0901 mL | 0.1802 mL | 0.4505 mL |
Rolapitant hydrochloride hydrate Related Classifications
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